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2-Benzyl-1-(3-phthalimidopropyl)-5-nitro-1,2-dihydro-3H-indazol-3-one
SpectraBase Compound ID B0zSlpJSF4z
InChI InChI=1S/C25H20N4O5/c30-23-19-9-4-5-10-20(19)24(31)26(23)13-6-14-27-22-12-11-18(29(33)34)15-21(22)25(32)28(27)16-17-7-2-1-3-8-17/h1-5,7-12,15H,6,13-14,16H2
InChIKey HZAQJSPGIPPOJA-UHFFFAOYSA-N
Mol Weight 456.46 g/mol
Molecular Formula C25H20N4O5
Exact Mass 456.14337 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2H2kzLeZxw
Name 2-benzyl-1-(3-phthalimidopropyl)-5-nitro-1,2-dihydro-3H-indazole-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H20N4O5
InChI InChI=1S/C25H20N4O5/c30-23-19-9-4-5-10-20(19)24(31)26(23)13-6-14-27-22-12-11-18(29(33)34)15-21(22)25(32)28(27)16-17-7-2-1-3-8-17/h1-5,7-12,15H,6,13-14,16H2
InChIKey HZAQJSPGIPPOJA-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 456.458 g/mol
SMILES C(c1ccccc1)N1N(c2ccc(cc2C1=O)[N+](=O)[O-])CCCN1C(c2c(C1=O)cccc2)=O
SPLASH splash10-0540-0900400000-29ebdf5589c963996bf0
Source of Spectrum WO2019077174A1
Wiley ID 1875033